Quantum chemistry simulation of biological molecules

著者

    • Albuquerque, Eudenilson L.
    • Fulco, Umberto L.
    • Caetano, Ewerton W. S.
    • Freire, Valder N.

書誌事項

Quantum chemistry simulation of biological molecules

Eudenilson L. Albuquerque ... [et al.]

Cambridge University Press, 2021

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注記

Includes bibliographical references (p. 389-410) and index

Other authors: Umberto L. Fulco, Ewerten W. S. Caetano, Valder N. Freire

内容説明・目次

内容説明

Nano-biotechnology crosses the boundaries between physics, biochemistry and bioengineering, and has profound implications for the biomedical engineering industry. This book describes the quantum chemical simulation of a wide variety of molecular systems, with detailed analysis of their quantum chemical properties, individual molecular configurations, and cutting-edge biomedical applications. Topics covered include the basic properties of quantum chemistry and its conceptual foundations, the nanoelectronics and thermodynamics of DNA, the optoelectronic properties of the five DNA/RNA nucleobase anhydrous crystals, and key examples of molecular diode prototypes. A wide range of important applications are described, including protein binding of drugs such as cholesterol-lowering, anti-Parkinson and anti-migraine drugs, and recent developments in cancer biology are also discussed. This modern and comprehensive text is essential reading for graduate students and researchers in multidisciplinary areas of biological physics, chemical physics, chemical engineering, biochemistry and bioengineering.

目次

  • 1. Basic Properties of Quantum Chemistry
  • 2. Charge Transport in the DNA Molecule
  • 3. Electronic Transmission Spectra of the DNA Molecule
  • 4. Thermodynamic Properties of the DNA Molecule
  • 5. Properties of the DNA/RNA Nucleobases
  • 6. Molecular Electronics
  • 7. Amino Acids Anhydrous Crystals
  • 8. Protein-Protein Systems
  • 9. Ascorbic Acid and Ibuprofen Drugs
  • 10. Cholesterol-lowering Drugs
  • 11. Collagen-based Biomaterials
  • 12. Anti-Migraine Drugs
  • 13. Anti-Parkinson Drugs
  • 14. Central Nervous System Disorders
  • 15. The Biology of Cancer
  • Notes
  • References
  • Index.

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